============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TRP 20 1.040 -18.027 -22.463 -19.415 -99.200 -91.000 TRP6 20 1.020 -19.761 -20.873 -19.204 -99.200 -91.000 TYR 21 0.840 -16.476 -25.534 -11.775 -99.200 -91.000 HIS 22 0.900 -24.345 -27.356 -15.287 -99.200 -91.000 PHE 34 1.000 -14.445 -19.396 -17.211 -99.200 -91.000 TRP 44 1.040 -12.593 -12.749 -9.064 -99.200 -91.000 TRP6 44 1.020 -13.475 -10.618 -8.533 -99.200 -91.000 PHE 47 1.000 -21.554 -9.534 -15.201 -99.200 -91.000 PHE 57 1.000 -22.096 -10.254 -26.642 -99.200 -91.000 PHE 58 1.000 -28.841 -3.868 -32.688 -99.200 -91.000 TRP 61 1.040 -36.716 -6.702 -21.656 -99.200 -91.000 TRP6 61 1.020 -35.551 -4.978 -20.542 -99.200 -91.000 TYR 64 0.840 -28.100 -7.965 -24.332 -99.200 -91.000 PHE 68 1.000 -26.540 -12.258 -25.934 -99.200 -91.000 PHE 75 1.000 -19.919 -16.110 -20.823 -99.200 -91.000 TRP 76 1.040 -26.338 -10.228 -20.632 -99.200 -91.000 TRP6 76 1.020 -24.975 -8.559 -19.638 -99.200 -91.000 HIS 83 0.900 -33.980 -9.379 -9.673 -99.200 -91.000 TRP 91 1.040 -23.432 -11.306 -5.499 -99.200 -91.000 TRP6 91 1.020 -22.858 -13.380 -6.483 -99.200 -91.000 PHE 100 1.000 -8.295 -3.915 -31.274 -99.200 -91.000 PHE 106 1.000 -6.488 -5.979 -15.008 -99.200 -91.000 HIS 108 0.900 -10.043 -3.684 -9.939 -99.200 -91.000 TYR 109 0.840 -16.993 0.321 -11.210 -99.200 -91.000 PHE 112 1.000 -23.477 -5.844 -11.878 -99.200 -91.000 HIS 120 0.900 -38.485 -0.725 -17.275 -99.200 -91.000 TYR 121 0.840 -34.050 -7.891 -15.808 -99.200 -91.000 PHE 128 1.000 -12.457 3.296 -10.344 -99.200 -91.000 HIS 140 0.900 -23.425 3.827 -18.645 -99.200 -91.000 PHE 145 1.000 -29.177 -4.446 -20.462 -99.200 -91.000 TYR 148 0.840 -33.293 -5.444 -31.270 -99.200 -91.000 HIS 152 0.900 -36.912 0.010 -20.698 -99.200 -91.000 HIS 164 0.900 -25.262 -3.315 -34.146 -99.200 -91.000 TRP 167 1.040 -23.432 -0.202 -20.580 -99.200 -91.000 TRP6 167 1.020 -22.267 -2.213 -20.269 -99.200 -91.000 TRP 168 1.040 -27.733 -1.661 -16.633 -99.200 -91.000 TRP6 168 1.020 -25.778 -2.955 -16.996 -99.200 -91.000 TYR 169 0.840 -26.598 1.708 -24.436 -99.200 -91.000 TYR 173 0.840 -20.751 4.170 -25.520 -99.200 -91.000 TYR 181 0.840 -14.259 -8.674 -31.236 -99.200 -91.000 HIS 189 0.900 -17.838 -1.804 -36.024 -99.200 -91.000 TYR 191 0.840 -21.558 6.129 -31.074 -99.200 -91.000 TRP 195 1.040 -13.515 1.391 -18.675 -99.200 -91.000 TRP6 195 1.020 -15.370 0.266 -17.748 -99.200 -91.000 HIS 203 0.900 -9.575 5.835 -30.407 -99.200 -91.000 TYR 205 0.840 -10.439 -1.363 -23.825 -99.200 -91.000